Compound Detail
CHEMBL3827487
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CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CCNC1=O
Basic Information
| ChEMBL ID | CHEMBL3827487 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXNMDFAQEFKNAT-VUBDRERZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
756.9
MW (Da)
-3.21
ALogP
12
HBA
12
HBD
355.0
PSA (Ų)
0.02
QED
3
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 8 CHEMBL5665 | IC50 | 5.63 | 5.63 | 2345.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 8 | IC50 | = | 2345.0 | nM | 5.63 | Inhibition of ADAM8 (unknown origin) expressed in African green monkey COS7 cell... | 27407033 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27407033 | 10.1016/j.bmc.2016.06.042 | Disintegrin and metalloproteinase domain-containing protein 8 | 1 |
Data from ChEMBL 36 via Core Engine